Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H42N4O5
Molecular Weight	562.6997
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir

Structure Search

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC2=CC=C(C=C2)C3=NC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChIKey=KYSDBVSJLBOZDZ-NSOVKSMOSA-N

InChI=1S/C32H42N4O5/c1-31(2,3)40-29(38)34-27(20-23-12-8-7-9-13-23)28(37)22-36(35-30(39)41-32(4,5)6)21-24-15-17-25(18-16-24)26-14-10-11-19-33-26/h7-19,27-28,37H,20-22H2,1-6H3,(H,34,38)(H,35,39)/t27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H42N4O5
Molecular Weight	562.6997
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:44:27 GMT 2025` Edited by `admin` on `Mon Mar 31 23:44:27 GMT 2025`
Record UNII	ZD25TA7YUL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATAZANAVIR SULFATE IMPURITY J [EP IMPURITY]

Preferred Name

English

Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir

Common Name

English

1,1-Dimethylethyl 2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylate

Systematic Name

English

tert-Butyl 2-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-[4-(pyridin-2-yl)benzyl]hydrazinecarboxylate

Systematic Name

English

Atazanavir di-tert-butyl analog [USP IMPURITY]

Common Name

English

Atazanavir di-tert-butyl analog

Common Name

English

Hydrazinecarboxylic acid, 2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl ester

Systematic Name

English

tert-butyl 2-[(2S,3S)-3-(tert-butoxyformamido)-2-hydroxy-4-phenylbutyl]-2-[[4-(pyridin-2-yl)phenyl]methyl]hydrazine-1-carboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

ZD25TA7YUL

Created by admin on Mon Mar 31 23:44:27 GMT 2025 , Edited by admin on Mon Mar 31 23:44:27 GMT 2025

PRIMARY

EPA CompTox

DTXSID40477277

Created by admin on Mon Mar 31 23:44:27 GMT 2025 , Edited by admin on Mon Mar 31 23:44:27 GMT 2025

PRIMARY

CAS

198904-86-8

Created by admin on Mon Mar 31 23:44:27 GMT 2025 , Edited by admin on Mon Mar 31 23:44:27 GMT 2025

PRIMARY

PUBCHEM

12084688

Created by admin on Mon Mar 31 23:44:27 GMT 2025 , Edited by admin on Mon Mar 31 23:44:27 GMT 2025

PRIMARY

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Interaction Type:

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Qualification:

EP

Amount: